4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile

C17H23N3O — CID 56916954

IUPAC4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCOCC3)CC2)n1
InChIInChI=1S/C17H23N3O/c1-13-11-14(2)19-16(15(13)12-18)20-7-3-17(4-8-20)5-9-21-10-6-17/h11H,3-10H2,1-2H3
InChIKeyRXRYIVONOIBEKU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.97
Rot. Bonds1

About 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile

4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile (PubChem CID 56916954) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
PubChem CID56916954
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCOCC3)CC2)n1
InChIInChI=1S/C17H23N3O/c1-13-11-14(2)19-16(15(13)12-18)20-7-3-17(4-8-20)5-9-21-10-6-17/h11H,3-10H2,1-2H3
InChIKeyRXRYIVONOIBEKU-UHFFFAOYSA-N
XLogP2.97
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile (CID 56916954) is 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC3(CCOCC3)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile?
The InChIKey is RXRYIVONOIBEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-11-14(2)19-16(15(13)12-18)20-7-3-17(4-8-20)5-9-21-10-6-17/h11H,3-10H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56916954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).